5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol

C15H14BrNO2 — CID 107684678

IUPAC5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCc3ccc(Br)cn3)ccc21
InChIInChI=1S/C15H14BrNO2/c16-11-2-3-12(17-8-11)9-19-13-4-5-14-10(7-13)1-6-15(14)18/h2-5,7-8,15,18H,1,6,9H2
InChIKeyAOTJCHZYMJRTDT-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.40
Rot. Bonds3

About 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol

5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684678) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684678
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCc3ccc(Br)cn3)ccc21
InChIInChI=1S/C15H14BrNO2/c16-11-2-3-12(17-8-11)9-19-13-4-5-14-10(7-13)1-6-15(14)18/h2-5,7-8,15,18H,1,6,9H2
InChIKeyAOTJCHZYMJRTDT-UHFFFAOYSA-N
XLogP3.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684678) is 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(OCc3ccc(Br)cn3)ccc21.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AOTJCHZYMJRTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-11-2-3-12(17-8-11)9-19-13-4-5-14-10(7-13)1-6-15(14)18/h2-5,7-8,15,18H,1,6,9H2.
What are the key properties of 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 320.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).